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Fix custom json
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hannahbaumann authored and richardjgowers committed Jan 30, 2024
1 parent 06318b5 commit 9f5795b
Showing 1 changed file with 8 additions and 7 deletions.
15 changes: 8 additions & 7 deletions gufe/tests/test_custom_json.py
Original file line number Diff line number Diff line change
Expand Up @@ -220,18 +220,19 @@ def setup_method(self):
],
"small_molecule_forcefield": "openff-2.0.0",
"nonbonded_method": "PME",
"nonbonded_cutoff": 1.0 * unit.nanometer,
"nonbonded_cutoff": {':is_custom:': True,
'magnitude': 1.0,
'pint_unit_registry': 'openff_units',
'unit': 'nanometer'},
},
"thermo_settings": {
"__class__": "ThermoSettings",
"__module__": "gufe.settings.models",
":is_custom:": True,
"temperature": {
"magnitude": 300,
"unit": "kelvin",
":is_custom:": True,
"pint_unit_registry": "openff_units",
},
"temperature": {":is_custom:": True,
"magnitude": 300.0,
"pint_unit_registry": "openff_units",
"unit": "kelvin"},
"pressure": None,
"ph": None,
"redox_potential": None,
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